(4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C22H24F6N6O4 — CID 158303630

IUPAC(4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESC[C@@H]1[C@@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C[C@@H]1[C@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/2C11H12F3N3O2/c2*1-6-9(18)17(10(19)16(6)2)8-5-7(3-4-15-8)11(12,13)14/h2*3-6,9,18H,1-2H3/t6-,9+;6-,9-/m11/s1
InChIKeyGMULMYPYNNSLDU-RXVQKFEUSA-N
MW550.46 g/mol
LogP3.36
Rot. Bonds2

About (4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

(4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 158303630) has the molecular formula C22H24F6N6O4 and a molecular weight of 550.46 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID158303630
Molecular FormulaC22H24F6N6O4
Molecular Weight550.46 g/mol
Exact Mass550.18
IUPAC Name(4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESC[C@@H]1[C@@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C[C@@H]1[C@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/2C11H12F3N3O2/c2*1-6-9(18)17(10(19)16(6)2)8-5-7(3-4-15-8)11(12,13)14/h2*3-6,9,18H,1-2H3/t6-,9+;6-,9-/m11/s1
InChIKeyGMULMYPYNNSLDU-RXVQKFEUSA-N
XLogP3.36
TPSA113.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[1-[5-(Trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487397
3-(4-tert-Butylpyridin-2-yl)-4-hydroxy-1-methylimidazolidin-2-one
CID 163735
1-(Pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 4043614
(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol
CID 30704529
1-(1-Hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 51082759
(3S*,4S*)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-(4,4,4-trifluorobutyl)-3-pyrrolidinol
CID 56706551
[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 118745983
(3aR,6aS)-3-(2-piperidin-1-ylethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 164631620
4-Hydroxy-1-methyl-3-[5-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
CID 13655769
tert-butyl (1S,4S)-7-hydroxy-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 58305901
(1S,4S)-2-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-7-ol
CID 58305938
(3-hydroxypyrrolidin-1-yl)-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2H-pyrrol-5-yl]methanone
CID 58486564

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of (4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 158303630) is (4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for (4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is C[C@@H]1[C@@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C[C@@H]1[C@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.
What is the InChIKey of (4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is GMULMYPYNNSLDU-RXVQKFEUSA-N. The full InChI is InChI=1S/2C11H12F3N3O2/c2*1-6-9(18)17(10(19)16(6)2)8-5-7(3-4-15-8)11(12,13)14/h2*3-6,9,18H,1-2H3/t6-,9+;6-,9-/m11/s1.
What are the key properties of (4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
(4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 550.46 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5R)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 158303630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).